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Substance Name: Pradimicin A
RN: 117704-65-1
InChIKey: WPICPWIIIBCXCV-YCVGMXLESA-N

Note

  • From actinomycete strain No. P157-2; has inhibitory effect against HIV in vitro.

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antifungal Agents
  • Antiviral Agents
  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H44-N2-O18

Molecular Weight

  • 840.784
 
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Names and Synonyms

Name of Substance

  • Pradimicin A

Synonyms

  • BRN 4645458
  • Pradimicin A
  • PRD-A

Systematic Names

  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenz(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 117704-65-1

System Generated Number

  • 0117704651

Structure Descriptors

InChI

1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13+,20+,26+,29-,30+,33-,34-,35+,36+,39+,40-/m1/s1

InChIKey

WPICPWIIIBCXCV-YCVGMXLESA-N

Smiles

O([C@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)O[C@@H]1[C@@H](c2cc3c(C(c4cc(OC)cc(c4C3=O)O)=O)c(c2c2c1cc(c(c2O)C(N[C@@H](C(=O)O)C)=O)C)O)O)C)NC)[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular > 400mg/kg (400mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 763, 1990.
mouse LD50 intravenous 120mg/kg (120mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 763, 1990.